ferroelectric search distortion and workflow data and VASP files

<div>The zipped JSON files (distortion.json.gz and workflow_data.json.gz) contain details for each candidate from a search of the Materials Project database for ferroelectrics. These JSON files provide details of the symmetry analysis performed for each candidate and data generated by DFT calculations and post-processing from the workflow (respectively).</div><div><br></div>The zipped folders contain VASP input and output files for ferroelectric search of Materials Project

ferroelectric search misc. mongo databases

<div>These files are included for archiving purposes. They are not intended for the general user.</div><div><br></div>These are compressed tgz folders generated by mongodump for multiple mongodbs used to create the ferroelectric_dataset json files. <div><br></div><div>These databases include the distortion databases generated from Bilbao Crystallographic Server queries, the Fireworks launchpad database (merged from multiple databases), and the full VASP calculation database (merged from multiple).</div><div><br></div><div>loadDBs.sh is included to upload the mongodumps to a mongodb after the files are untarred (tar -xvzf filename.tgz).</div

ferroelectric search distortion and workflow data

These files contain details for each candidate from a search of the Materials Project database for ferroelectrics. These JSON files provide details of the symmetry analysis performed for each candidate and data generated by DFT calculations and post-processing from the workflow